C226-1559 Screening compound: 5-(3-hydroxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide

C226-1559 Screening compound: 5-(3-hydroxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide
C226-1559 Screening compound: 5-(3-hydroxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1559
5-(3-hydroxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C226-1559

Molecular Formula

C17H11F3N2O4 (C17 H11 F3 N2 O4)

Compound Name

5-(3-hydroxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(3-hydroxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-12-oxazole-3-carboxamide

SMILES

Oc1cccc(-c2cc(C(Nc(cc3)ccc3OC(F)(F)F)=O)no2)c1

InChI

InChI=1S/C17H11F3N2O4/c18-17(19,20)25-13-6-4-11(5-7-13)21-16(24)14-9-15(26-22-14)10-2-1-3-12(23)8-10/h1-9,23H,(H,21,24)

InChI Key

OTCXOEMGMGKYGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.535

Distribution Coefficient, logD

4.530

Water Solubility, LogSw

-4.30

Polar Surface Area

68.419

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C226-1559 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C226-1559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1559?
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What is the minimum amount of C226-1559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1559
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C226-1559 available by request